SCF-CI studies of correlation effects on hydrogen bonding and ion hydration

Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

1953 • 12,496 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

The hydrogen bond

1960 • 3,255 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

The general theory of molecular forces

1937 • 1,343 citations

INFRARED AND RAMAN SPECTRA

1972 • 1,179 citations

Studies in Molecular Dynamics. II. Behavior of a Small Number of Elastic Spheres

1960 • 796 citations

Hydration of the alkali ions in the gas phase. Enthalpies and entropies of reactions M+(H2O)n-1 + H2O = M+(H2O)n

1970 • 700 citations

Theory of the hydrogen bond

1972 • 693 citations

The Water Vapor Molecule

1940 • 639 citations

Water Molecule Interactions

1970 • 620 citations

Water: A comprehensive treatise

1983 • 549 citations

Infrared and Raman spectra

1989 • 549 citations

A new method for large-scale Cl calculations

1972 • 507 citations

POLARITY AND IONIZATION FROM THE STANDPOINT OF THE LEWIS THEORY OF VALENCE.

1920 • 478 citations

Ionization energies of water from PNO-CI calculations

2009 • 402 citations

Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater-Type Basis

1970 • 384 citations

Hydration of the halide negative ions in the gas phase. II. Comparison of hydration energies for the alkali positive and halide negative ions

1970 • 381 citations

Statistical Mechanics and Dynamics

1967 • 307 citations

Ab initio studies on the structures and energetics of inner- and outer-shell hydrates of the proton and the hydroxide ion

1971 • 291 citations

Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive Ion

1972 • 248 citations

Study of the structure of molecular complexes. V. Heat of formation for the Li+, Na+, K+, F−, and Cl− ion complexes with a single water molecule

1973 • 241 citations

Matrix-Isolation Study of the Water Dimer in Solid Nitrogen

1970 • 225 citations

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

A comparison of different contractions for molecular calculations with gaussian-type functions

1968 • 196 citations

The lattice energy of ice and the second virial coefficient of water vapour

1951 • 182 citations

Ion-Molecule reactions

1971 • 147 citations

Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron Properties

1972 • 145 citations

SCF-MO-LCGO studies on hydrogen bonding. The water dimer

1971 • 138 citations

Study of the structure of molecular complexes. III. Energy surface of a water molecule in the field of a fluorine or chlorine anion

1973 • 133 citations

Dimers of the Water Molecule in the Earth's Atmosphere

1969 • 124 citations

Optimized transformation of four center integrals

1974 • 110 citations

Infrared Spectra of Oxonium Halides and the Structure of the Oxonium Ion

1955 • 109 citations

An SCF partitioning scheme for the hydrogen bond

1970 • 89 citations

Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4

1967 • 82 citations

Construction of the hamiltonian matrix in large configuration interaction calculations

1973 • 78 citations

Infrared Study of the Crystalline Monohydrates of Nitric, Perchloric, and Sulfuric Acids

1964 • 78 citations

SCF MO LCGO studies on hydrogen bonding the system (FHOH−

1970 • 75 citations

Ab initio calculations on small hydrides including electron correlation

1973 • 74 citations

Hydrogen bond studies

1973 • 73 citations

SCF MO LCGO studies on the hydration of ions: The systems H+H2O, Li+H2O, and Na+H2O

1972 • 73 citations

SCF MO LCGO studies on hydrogen bondng. The water dimer

1969 • 63 citations

Multiconfiguration Wavefunctions for the Water Molecule

1971 • 57 citations

Water Cluster Formation Rates of NO+ in He, Ar, N2, and O2 at 296°K

1971 • 56 citations

Correlation effects on energy curves for proton transfer. The cation [H5O2]+

1973 • 55 citations

The Formation of Cluster Ions in Laboratory Sources and in the Ionosphere

1970 • 54 citations

LCAO MO SCF calculations on the hydroation of simple ions (LCAO MO sutides on molecular structure V)

1970 • 54 citations

Theoretical Investigation of H3O+

1965 • 48 citations

Semiempirical Determination of the Hydrogen Bond Energy for Water Clusters in the Vapor Phase. I. General Theory and Application to the Dimer

1969 • 47 citations

Ab initio calculations on the hydration of monatomic cations. (LCAO MO studies on molecular structure VII)

1971 • 45 citations

The structure of the H3O+ (hydronium) ion

1973 • 43 citations

Ab initio, semi-empirical, and classical calculations of simple hydrated ions

1972 • 40 citations

XXXI. On the effect of electrification and chemical action on a steam-jet, and of water-vapour on the discharge of electricity through gases

1893 • 39 citations

Geometry and force constant determination from correlated wave functions for polyatomic molecules: Ground states of H2O and CH2

1972 • 38 citations

SCF MO LCGO studies on the hydration of ions: The system Li+�2H2O

1972 • 35 citations

Reaction of D3O+ with D2: Proton affinity of water

1973 • 34 citations

Proton Affinity of Water

1972 • 32 citations

Theory of Hydrogen Bonding in Water

1972 • 30 citations

Dielektrizitätskonstante und chemisches Gleichgewicht

1894 • 19 citations

Explanation of Some Differences in the Correlation Energies of CH4, Ne, and NH4+

1965 • 12 citations